N-tert-butyl-4-[6-chloranyl-2-[2-(3-methylbutan-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide

Systemtic Name: N-tert-butyl-4-[6-chloranyl-2-[2-(3-methylbutan-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide Openeye Name: N-tert-butyl-4-[6-chloro-2-[2-(1,2-dimethylpropylamino)-2-oxo-ethyl]sulfanyl-pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide CAS Name: N-tert-butyl-4-[6-chloro-2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]thio]-4-pyrimidinyl]-2-methyl-1-piperazinecarboxamide IUPAC Name: N-tert-butyl-4-[6-chloro-2-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]sulfanylpyrimidin-4-yl]-2-methylpiperazine-1-carboxamide Traditional Name: N-tert-butyl-4-[6-chloro-2-[[2-(1,2-dimethylpropylamino)-2-keto-ethyl]thio]pyrimidin-4-yl]-2-methyl-piperazine-1-carboxamide Formula: C21H35ClN6O2S MolecularWeight: 471.0596

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)NC(C)(C)C)C2=CC(=NC(=N2)SCC(=O)NC(C)C(C)C)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)NC(C)(C)C)C2=CC(=NC(=N2)SCC(=O)NC(C)C(C)C)Cl

InChI

InChI=1S/C21H35ClN6O2S/c1-13(2)15(4)23-18(29)12-31-19-24-16(22)10-17(25-19)27-8-9-28(14(3)11-27)20(30)26-21(5,6)7/h10,13-15H,8-9,11-12H2,1-7H3,(H,23,29)(H,26,30)